2-[4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]ethanenitrile

Systemtic Name: 2-[4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]ethanenitrile Openeye Name: 2-[4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]acetonitrile CAS Name: 2-[4-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)amino]phenyl]acetonitrile IUPAC Name: 2-[4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]acetonitrile Traditional Name: 2-[4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]acetonitrile Formula: C16H14N4S MolecularWeight: 294.37416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC3=CC=C(C=C3)CC#N)C

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=CC=C(C=C3)CC#N)C

InChI

InChI=1S/C16H14N4S/c1-10-11(2)21-16-14(10)15(18-9-19-16)20-13-5-3-12(4-6-13)7-8-17/h3-6,9H,7H2,1-2H3,(H,18,19,20)